Structure for Imidazole-4(or 5)-carboxamide, 5(or 4)-diazo-4,5-dihydro-
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Additional information about this structure
| Owner: |
Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
|
| Computation date: |
2012-07-25
|
| Contributor(s): |
Daniel Du
|
| Computational method: |
B3LYP/6-31G*
|
| Computational software: |
Gaussian 09, Revision C.01
|
| Electronic energy: |
-504.418466125 hartree
|
| Dipole moment: |
2.2367 debye
|
| Rotational constants: |
1.5079685 GHz
0.8404527 GHz
0.6535291 GHz
|